CID 9610641

2-ethoxy-4-(2-((3-methoxyanilino)(oxo)ac)carbohydrazonoyl)ph 4-chlorobenzoate

Structural Information

Molecular Formula
C25H22ClN3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC(=CC=C2)OC)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H22ClN3O6/c1-3-34-22-13-16(7-12-21(22)35-25(32)17-8-10-18(26)11-9-17)15-27-29-24(31)23(30)28-19-5-4-6-20(14-19)33-2/h4-15H,3H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
InChIKey
ZWKWUPJEEHXLLL-JFLMPSFJSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.11972 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.12700 216.5
[M+Na]+ 518.10894 221.0
[M-H]- 494.11244 227.2
[M+NH4]+ 513.15354 223.3
[M+K]+ 534.08288 217.8
[M+H-H2O]+ 478.11698 205.7
[M+HCOO]- 540.11792 237.2
[M+CH3COO]- 554.13357 245.8
[M+Na-2H]- 516.09439 216.8
[M]+ 495.11917 224.0
[M]- 495.12027 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.